69381764 -OEChem-05132405252D 55 58 0 1 0 0 0 0 0999 V2000 11.1787 -3.5272 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4584 -2.5072 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 2.5619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4815 -0.5074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5369 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4931 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 2.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2134 -0.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1903 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0736 -1.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.2172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.4195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 -0.8112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 2.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 3.5272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2206 0.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6141 -0.7336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5954 -2.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 28 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 41 1 0 0 0 0 7 17 1 0 0 0 0 7 44 1 0 0 0 0 7 45 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 9 48 1 0 0 0 0 10 24 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 1 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 6 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END > 69381764 > 1 > 634 > 8 > 3 > 7 > AAADceB7sQAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwIQAAAADS7hni439vbIFACoAydzdACCiCkxJ6AJ2KG+7piNbvLF+/uWPCru0BvK6Ce43BMOIEABAgICQABAgAIEBASAAAAAAAAAAA== > (2R,4R)-4-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxymethyl]piperidine-2-carboxamide > (2R,4R)-4-[[4-(3-chloro-2-fluoroanilino)-7-methoxy-6-quinazolinyl]oxymethyl]-2-piperidinecarboxamide > (2R,4R)-4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]piperidine-2-carboxamide > (2R,4R)-4-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxymethyl]piperidine-2-carboxamide > (2R,4R)-4-[[4-[(3-chloranyl-2-fluoranyl-phenyl)amino]-7-methoxy-quinazolin-6-yl]oxymethyl]piperidine-2-carboxamide > (2R,4R)-4-[[4-(3-chloro-2-fluoro-anilino)-7-methoxy-quinazolin-6-yl]oxymethyl]pipecolinamide > InChI=1S/C22H23ClFN5O3/c1-31-18-9-16-13(8-19(18)32-10-12-5-6-26-17(7-12)21(25)30)22(28-11-27-16)29-15-4-2-3-14(23)20(15)24/h2-4,8-9,11-12,17,26H,5-7,10H2,1H3,(H2,25,30)(H,27,28,29)/t12-,17-/m1/s1 > DFFGLYSHDWSGME-SJKOYZFVSA-N > 3.4 > 459.1473455 > C22H23ClFN5O3 > 459.9 > COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OCC4CCNC(C4)C(=O)N > COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=CC=C3)Cl)F)OC[C@@H]4CCN[C@H](C4)C(=O)N > 111 > 459.1473455 > 0 > 32 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 24 8 10 25 8 11 16 5 14 17 6 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 21 24 8 22 23 8 26 28 8 26 29 8 28 30 8 29 31 8 30 32 8 31 32 8 8 23 8 8 25 8 $$$$